Different from traditional semiconductors, the organic semiconductors normally possess moderate many-body interactions with respect to charge, exciton, spin and phonons. In particular, the diagonal electron-phonon couplings give rise to the spatial localization and the off-diagonal couplings refer to the delocalization. With the competition between them, the electrons are dispersive in a finite extent and unfavorable towards thermal equilibrium. In this context, the quantities from the statistical mechanics such as the entropy have to be reexamined. In order to bridge the localization-delocalization duality and the device performance in organic semiconductors, the quantum heat engine model is employed to describe the charge, exciton and spin dynamics. We adopt the adaptive time-dependent density matrix renormalization group algorithm to calculate the time evolution of the out-of-time-ordered correlator (OTOC), a quantum dynamic measurement of the entanglement entropy, in three models with two kinds of competing many-body interactions: two-bath lattice model with a single electron, Frenkel-charge transfer mixed model, and the Merrifield model for singlet fission. We respectively investigate the parameter regime that the system is in the many-body localization (MBL) phase indicated by the behavior of OTOC. It is recognized that the novel effects of coherent electron hopping, the ultrafast charge separation and the dissociation of triplet pairs are closely related to the MBL effect. Our investigation unifies the intrinsic mechanisms correlating to charge, exciton and spin into a single framework of quantum entanglement entropy, which may help clarify the complicated and diverse phenomena in organic semiconductors.
Different from traditional semiconductors, the organic semiconductors normally possess moderate many-body interactions with respect to charge, exciton, spin and phonons. In particular, the diagonal electron-phonon couplings give rise to the spatial localization and the off-diagonal couplings refer to the delocalization. With the competition between them, the electrons are dispersive in a finite extent and unfavorable towards thermal equilibrium. In this context, the quantities from the statistical mechanics such as the entropy have to be reexamined. In order to bridge the localization-delocalization duality and the device performance in organic semiconductors, the quantum heat engine model is employed to describe the charge, exciton and spin dynamics. We adopt the adaptive time-dependent density matrix renormalization group algorithm to calculate the time evolution of the out-of-time-ordered correlator (OTOC), a quantum dynamic measurement of the entanglement entropy, in three models with two kinds of competing many-body interactions: two-bath lattice model with a single electron, Frenkel-charge transfer mixed model, and the Merrifield model for singlet fission. We respectively investigate the parameter regime that the system is in the many-body localization (MBL) phase indicated by the behavior of OTOC. It is recognized that the novel effects of coherent electron hopping, the ultrafast charge separation and the dissociation of triplet pairs are closely related to the MBL effect. Our investigation unifies the intrinsic mechanisms correlating to charge, exciton and spin into a single framework of quantum entanglement entropy, which may help clarify the complicated and diverse phenomena in organic semiconductors.
We investigate the quantum dynamics in a disordered electronic lattice by the time-dependent density matrix renormalization group algorithm. The on-site energy in the lattice follows the Fibonacci sequence and the electron off-diagonally couples to a sub-Ohmic phonon bath. It is found that the slope of the inverse participation ratio versus the coupling strength undergoes a sudden change that indicates a transition from static to dynamic localization, and that the generated polarons coherently diffuse via hopping-like processes, evidenced by the saturated entanglement entropy, providing a novel scenario for a transportation mechanism in strongly disordered systems. Moreover, the mean-square displacement is revealed to be insensitive to the coupling strength, implying the quantum diffusion behavior survives the energy disorder that prevails in real organic materials.
Despite the exponentially large amount of information required in the quantum description of many-body systems, finite size numerical simulations have paved the way for recent progress in the understanding of quantum phases of matter both in and out-of-equilibrium. \n \nIn this spirit, using exact diagonalization for a small number of spins ~ 20, first, we investigate the fate of both ergodic quantum many-body systems that thermalize at long times and systems with quenched disorder that exhibit many-body localization (MBL) and fail to thermalize (due to an extensive set of local conserved degrees of freedom) under periodic driving. Ergodic systems always delocalize in energy space and heat up to infinite temperature, for both local driving, in which the time dependence of the Hamiltonian is restricted to a few contiguous degrees of freedom, and global driving. On the other hand, MBL systems remain localized at finite energy density for local driving, while in the case of global driving these systems can either heat up to infinite temperature or remain localized depending on the parameters of the drive. Underlying the latter is the emergence of an effective time independent MBL Hamiltonian describing the long time dynamics of the system. These numerical predictions have recently been verified experimentally in a one dimensional quasi-disordered optical lattice of interacting fermions wherein unitary time evolution can be experimentally probed. \n \nSubsequently, we study the stability of MBL systems with respect to another perturbation, in this case by thermal inclusions, which remains poorly understood. We consider a simple model to address this question: a two level system interacting with 𝑁 localized bits subject to random fields. In the large 𝑁 limit, the localized bits are thermalized for any nonzero ratio of interactions to disorder strength. Moreover, at finite 𝑁, in the transition region, the single-site eigenstate entanglement entropies exhibit bimodal distributions, so that localized bits are either "on" (strongly entangled) or "off" (weakly entangled) in eigenstates. The clusters of "on" bits vary significantly between eigenstates of the same sample, which provides evidence for a heterogenous discontinuous transition out of the localized phase in single site observables. These results also imply the MBL phase is unstable in systems with short-range interactions and quenched randomness in dimensions 𝑑 that are high but finite. \n \nThe second part of this thesis is motivated by the recent breakthroughs of artificial intelligence in domains such as computer vision involving highly dimensional data of complexity not unlike the one found in the description of many-body systems. Using Monte Carlo simulations to generate synthetic data, we find that kernel methods, a class of machine learning algorithms, can learn the mathematical \nform of physical discriminators associated with phase transitions, such as order parameters and Hamiltonian constraints, for a set of two dimensional spin models: the ferromagnetic Ising model, a conserved-order-parameter Ising model, and the Ising gauge theory. \n \nOur work shows that the combination of numerical simulations with the ability of machine learning algorithms for automatic feature detection hold promise to become standard tools in the exploration and characterization of different phases of matter in condensed matter and other many-body systems.
Understanding the boundaries between quantum thermalization and localization in many-body systems remains a central frontier of condensed matter and quantum information science. In this work, we investigate the dynamics and spectral properties of a generic model with long-range three-body-interaction, namely, a system with non-local three-wave-mixing. This model has been realized recently with a microwave Fabry-Perot cavity terminated on one end by a superconducting qubit mirror. Utilizing exact diagonalization techniques, we uncover a striking paradox: the global energy level spacing statistics show integrability, even though all dynamic observables and inverse participation ratios of the eigenstates indicate ergodicity and delocalization. We show that this behavior is a hallmark of strong Hilbert space fragmentation driven by kinematic constraints rather than an explicit global symmetry. Inside these sectors, dynamics scramble rapidly, as evidenced by the out-of-time-ordered correlator (OTOC), while global transport is heavily bottlenecked, resulting in a logarithmic relaxation to equilibrium. This picture is further confirmed by fluctuations in eigenstate entanglement entropy at the same energy. Finally, we demonstrate that the late time OTOC average scales with system size, providing a distinct experimentally accessible signature of the underlying three-body kinetic bottlenecks.
We investigate the localization in a one-dimensional modified Peierls model with a non-adiabatic dynamic method. Different from the polaron scenario, here the localization stems from extensive conserved local quantities in the disorder-free lattice. Both the entanglement entropy and out-of-time-ordered correlator (OTOC) show the oscillating feature of dynamically generated localization. Although the strong interaction between electrons may suppress the dynamical features of the localization, but the effect of many-body localization is not observed. The role of disorder presented at finite temperature is discussed as well. The electrons diffuse in a classical manner. Benefitting from the indication of OTOC, it is found that the Anderson localization becomes dominant instead of dynamic localization as observed in disorder-free lattices.
Isolated, many-body quantum systems, evolving under their intrinsic dynamics, exhibit a multitude of exotic phenomena and raise foundational questions about statistical mechanics. A flurry of theoretical work has been devoted to understanding how these systems reach thermal equilibrium in the absence of coupling to an external bath and, when thermalization does not occur, investigating the emergent non-equilibrium phases of matter. With the advent of synthetic quantum systems, such as ultra-cold atoms in optical lattices or trapped ions, these questions are no longer academic and can be directly studied in the laboratory. This dissertation explores the non-equilibrium phenomena that stem from the interplay between interactions, disorder, symmetry, topology, and external driving. First, we study how strong disorder, leading to many-body localization, can arrest the heating of a Floquet system and stabilize symmetry-protected topological order that does not have a static analogue. We analyze its dynamical and entanglement properties, highlight its duality to a discrete time crystal, and propose an experimental implementation in a cold-atom setting.Quenched disorder and the many-body localized state are crucial ingredients in protecting macroscopic quantum coherence. We explore the stability of many-body localization in two and higher dimensions and analyze its robustness to rare regions of weak disorder.We then study a second example of non-thermal behavior, namely integrability. We show that a class of random spin models, realizable in systems of atoms coupled to an optical cavity, gives rise to a rich dynamical phase diagram, which includes regions of integrability, classical chaos, and of a novel integrable structure whose conservation laws are reminiscent of the integrals of motion found in a many-body localized phase.The third group of disordered, non-ergodic systems we consider, spin glasses, have fascinating connections to complexity theory and the hardness of constraint satisfaction. We define a statistical ensemble that interpolates between the classical and quantum limits of such a problem and show that there exists a sharp boundary separating satisfiable and unsatisfiable phases.
The characterization of the dynamical structure of quantum many-body systems is an important and very active endeavor both experimentally and theoretically. Several tools, such as quantum-information theoretic observables and spectral measures, provide a powerful lens for characterizing correlations and their dynamics in quantum many-body systems. These quantities can reveal important features of experimentally realizable systems and provide insight into their control and dynamical behaviour. This thesis investigates nonequilibrium settings in which the spreading and redistribution of quantum correlations exhibit unconventional behaviour, with particular emphasis on the role of extended-range correlations. We consider two main classes of systems: lattice models undergoing quantum quenches and central-spin models motivated by experimental applications. For lattice systems, we study the dynamics of entanglement and local symmetry breaking in free fermionic and bosonic models, interacting integrable systems, and quantum circuits. We first investigate symmetry restoration following quenches from ground states of long-range fermionic Hamiltonians. We show that two states undergoing symmetry restoration can exhibit multiple inversions, manifested through multiple crossings of the distance measure, implying either the evasion of the quantum Mpemba effect or a more intricate route to its occurrence. This demonstrates that anomalous relaxation is not restricted to short times and can be understood through the momentum-dependent distribution and velocities of quasiparticle excitations. We then study quenches from initial states possessing extensive, spatially organized entanglement, moving beyond the conventional setting of weakly entangled initial states. For crosscap states, characterized by antipodal correlations and volume-law entanglement entropy, we uncover unconventional entanglement dynamics and formulate an antipodal quasiparticle picture in which initially entangled degrees of freedom originate from macroscopically separated points. We subsequently generalize this construction to entangled multipodal states, whose polygon-like correlation structure produces richer equilibrium and dynamical entanglement patterns. We further investigate charge-deformed crosscap states and show that their local symmetry-breaking dynamics can display the unusual phenomenon of dynamical symmetry breaking under symmetry-preserving evolution. Finally, we extend the crosscap construction to bosonic systems and describe the dynamics of the entanglement entropy, mutual information, and logarithmic negativity within a corresponding quasiparticle framework. The second class of systems considered concerns central-spin models and their application to quantum memories in semiconductor quantum dots. We investigate how disorder in couplings and frequencies modifies collective many-body dynamics and affects the storage and retrieval of quantum information. Using spectral, dynamical, and information-theoretic diagnostics, we characterize the resulting dynamical regimes and relate the loss of collectivity and the spreading of information through the spin bath to the performance of quantum-memory protocols. Overall, the results demonstrate how extended-range correlations, whether encoded in an initial state or generated by the interaction structure, can qualitatively reshape entanglement spreading, symmetry dynamics, and information retention in nonequilibrium quantum many-body systems.